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Compound Detail

CHEMBL4852886

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Cc1cc(-c2ccccc2F)c2ncn(C)c(=O)c2c1

Basic Information

ChEMBL ID CHEMBL4852886
Phase Preclinical
Structure Type MOL
InChI Key GJEBDIUKCSPFFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
3.05
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13FN2O
MW 268.29
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proteinase-activated receptor 4
CHEMBL4879420
IC50 5.26 5.26 5480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34391031 10.1016/j.ejmech.2021.113764 Proteinase-activated receptor 4 2

Data from ChEMBL 36 via Core Engine